diethyl 5-[(3-chlorophenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(3-chlorophenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3-chlorobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-chlorobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-chlorobenzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H19ClN2O5S MolecularWeight: 434.89326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl)C(=O)OCC

InChI

InChI=1S/C20H19ClN2O5S/c1-3-27-18(25)13-8-14(19(26)28-4-2)11-16(10-13)22-20(29)23-17(24)12-6-5-7-15(21)9-12/h5-11H,3-4H2,1-2H3,(H2,22,23,24,29)